3-[4-methyl-3-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[4-methyl-3-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-phenyl]piperidine-1-carboxylic acid Openeye Name: 3-[3-(2-hydroxy-1,1-dimethyl-2-oxo-ethoxy)-4-methyl-phenyl]piperidine-1-carboxylic acid CAS Name: 3-[3-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-4-methylphenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[3-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxy-4-methylphenyl]piperidine-1-carboxylic acid Traditional Name: 3-[3-(2-hydroxy-2-keto-1,1-dimethyl-ethoxy)-4-methyl-phenyl]piperidine-1-carboxylic acid Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CCCN(C2)C(=O)O)OC(C)(C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2CCCN(C2)C(=O)O)OC(C)(C)C(=O)O

InChI

InChI=1S/C17H23NO5/c1-11-6-7-12(9-14(11)23-17(2,3)15(19)20)13-5-4-8-18(10-13)16(21)22/h6-7,9,13H,4-5,8,10H2,1-3H3,(H,19,20)(H,21,22)